(2S,16S,17S,18R,19R,20R,21S,22R,23S)-21-(Acetyloxy)-1,2-Dihydro-5,6,9,17,19-Pentahydroxy-23-Methoxy-2,4,12,16,18,20,22-Heptamethyl-1,11-Dioxo-2,7-(Epoxy[1,11,13]Pentadecatrienoimino)Naphtho[2,1-b]Furan-8-Carboxaldehyde [(2Z)-3-Methyl-2(3H)-Benzothiazolylidene]Hydrazone
[CAS# 78768-62-4]

Identification

• Name: (2S,16S,17S,18R,19R,20R,21S,22R,23S)-21-(Acetyloxy)-1,2-Dihydro-5,6,9,17,19-Pentahydroxy-23-Methoxy-2,4,12,16,18,20,22-Heptamethyl-1,11-Dioxo-2,7-(Epoxy[1,11,13]Pentadecatrienoimino)Naphtho[2,1-b]Furan-8-Carboxaldehyde [(2Z)-3-Methyl-2(3H)-Benzothiazolylidene]Hydrazone
• Synonyms: Aids-113788; Aids113788; R-75-1
• Molecular Formula: C₄₆H₅₄N₄O₁₂S
• Molecular Weight: 887.01
• CAS Registry Number: 78768-62-4
• SMILES: [C@H]1([C@H](O)[C@@H]([C@@H](O)[C@@H](C)\C=C\C=C(C(=O)NC4=C(O)C3=C(C2=C(O[C@](O/C=C/[C@H](OC)[C@H]([C@H]1OC(=O)C)C)(C2=O)C)C(=C3O)C)C(=O)\C4=C\N\N=C\6SC5=CC=CC=C5N6C)\C)C)C
• InChI: 1S/C46H54N4O12S/c1-21-14-13-15-22(2)44(58)48-35-28(20-47-49-45-50(9)29-16-11-12-17-31(29)63-45)39(55)32-33(40(35)56)38(54)26(6)42-34(32)43(57)46(8,62-42)60-19-18-30(59-10)23(3)41(61-27(7)51)25(5)37(53)24(4)36(21)52/h11-21,23-25,30,36-37,41,47,52-54,56H,1-10H3,(H,48,58)/b14-13+,19-18+,22-15-,28-20+,49-45-/t21-,23+,24+,25+,30-,36-,37+,41+,46-/m0/s1
• InChIKey: QQQDJORWMBOGIC-JWGHBYFJSA-N

Properties

• Density: 1.387g/cm³ (Cal.)